cyclohexyl-[[3-(4-fluorophenyl)-4-phenyl-5-sulfanylidene-1,2,4-triazol-1-yl]methyl]-methyl-azanium

Systemtic Name: cyclohexyl-[[3-(4-fluorophenyl)-4-phenyl-5-sulfanylidene-1,2,4-triazol-1-yl]methyl]-methyl-azanium Openeye Name: cyclohexyl-[[3-(4-fluorophenyl)-4-phenyl-5-thioxo-1,2,4-triazol-1-yl]methyl]-methyl-ammonium CAS Name: cyclohexyl-[[3-(4-fluorophenyl)-4-phenyl-5-sulfanylidene-1,2,4-triazol-1-yl]methyl]-methylammonium IUPAC Name: cyclohexyl-[[3-(4-fluorophenyl)-4-phenyl-5-sulfanylidene-1,2,4-triazol-1-yl]methyl]-methylazanium Traditional Name: cyclohexyl-[[3-(4-fluorophenyl)-4-phenyl-5-thioxo-1,2,4-triazol-1-yl]methyl]-methyl-ammonium Formula: C22H26FN4S+ MolecularWeight: 397.532043

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CN1C(=S)N(C(=N1)C2=CC=C(C=C2)F)C3=CC=CC=C3)C4CCCCC4

Isomeric SMILES

C[NH+](CN1C(=S)N(C(=N1)C2=CC=C(C=C2)F)C3=CC=CC=C3)C4CCCCC4

InChI

InChI=1S/C22H25FN4S/c1-25(19-8-4-2-5-9-19)16-26-22(28)27(20-10-6-3-7-11-20)21(24-26)17-12-14-18(23)15-13-17/h3,6-7,10-15,19H,2,4-5,8-9,16H2,1H3/p+1